1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-
TL;DR: 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- (CAS 3894-16-4) is a chemical compound with molecular formula C11H15ClO3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol
Also Known As: 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-, 2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol, 2-[ methyl]-2-methyl-1,3-propanediol, 2-((o-Chlorophenoxy)methyl)-2-methyl-1,3-propanediol, 2-[(o-Chlorophenoxy)methyl]-2-methyl-1,3-propanediol
| Molecular Formula | C11H15ClO3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.07097 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 3894-16-4 |
|---|---|
| SMILES | CC(CO)(CO)COC1=CC=CC=C1Cl |
| InChIKey | XUPWSSQZGXIAOC-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- (CAS 3894-16-4), with molecular formula C11H15ClO3 and molecular weight 230.07 g/mol. IUPAC: 2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-
Property Insights of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-?
The CAS number of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- is 3894-16-4.
What is the molecular formula of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- is C11H15ClO3.
What is the molecular weight of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- is 230.07 g/mol.
Where can I buy 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-((o-chlorophenoxy)methyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.